SCHEMBL3130740

SCHEMBL3130740

CC(C)n1cnc2c(NC3CC3)nc(C(F)(F)F)nc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.56
CDK9 P50750 3/20 0.56
CDK1 P06493 5/20 0.52
CCNE1 P24864 11/20 0.48
CCNB1 P14635 1/20 0.48
CCNE2 O96020 10/20 0.47
CCNA2 P20248 9/20 0.47
CCNA1 P78396 9/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
FLT3 P36888 1/20 0.47
CCNT1 O60563 1/20 0.45
CCNT2 O60583 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3136283 0.88 CDK2 (0.46) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3137544 0.88 CDK2 (0.53) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3142263 0.85 CDK2 (0.43) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3306974 0.83 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3132183 0.83 CDK2 (0.48) CDK2CDK9CDK1CCNE1CCNE2
SCHEMBL6709852 0.83 PDE4A (0.50) CDK2CDK9CDK1CCNE1CCNE2
SCHEMBL26772811 0.82 CDK2 (0.61) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL3138215 0.81 PDE4A (0.51) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL13057362 0.81 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1
SCHEMBL10137840 0.81 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US disclosed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US disclosed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US disclosed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US disclosed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A CDK2 853/4885CDK9 742/4885CDK1 775/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CDK9 742/4885CDK1 775/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CDK2 1035/4885CDK9 874/4885CDK1 772/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CDK9 742/4885CDK1 775/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CDK2 1035/4885CDK9 874/4885CDK1 772/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CDK9 742/4885CDK1 775/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CDK2 853/4885CDK9 742/4885CDK1 775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.